2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C22H20N4O2S2 — CID 1164154

IUPAC2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ncc(C)s3)c2c1
InChIInChI=1S/C22H20N4O2S2/c1-3-28-16-9-10-18-17(11-16)21(26-20(24-18)15-7-5-4-6-8-15)29-13-19(27)25-22-23-12-14(2)30-22/h4-12H,3,13H2,1-2H3,(H,23,25,27)
InChIKeyALHOJYRVGQLQDT-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.19
Rot. Bonds7

About 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1164154) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID1164154
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC Name2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ncc(C)s3)c2c1
InChIInChI=1S/C22H20N4O2S2/c1-3-28-16-9-10-18-17(11-16)21(26-20(24-18)15-7-5-4-6-8-15)29-13-19(27)25-22-23-12-14(2)30-22/h4-12H,3,13H2,1-2H3,(H,23,25,27)
InChIKeyALHOJYRVGQLQDT-UHFFFAOYSA-N
XLogP5.19
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 1164154) is 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide is CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ncc(C)s3)c2c1.
What is the InChIKey of 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ALHOJYRVGQLQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-3-28-16-9-10-18-17(11-16)21(26-20(24-18)15-7-5-4-6-8-15)29-13-19(27)25-22-23-12-14(2)30-22/h4-12H,3,13H2,1-2H3,(H,23,25,27).
What are the key properties of 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1164154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).